N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-butyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H31N3O2+2 MolecularWeight: 333.46834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C19H29N3O2/c1-2-3-7-20-19(23)15-22-10-8-21(9-11-22)14-16-4-5-18-17(13-16)6-12-24-18/h4-5,13H,2-3,6-12,14-15H2,1H3,(H,20,23)/p+2